02972nas a2200253   4500008004100000022001400041245012000055210006900175260011000244300001400354490000600368520200200374100001602376700002202392700001802414700002102432700002202453700002002475700002002495700002102515700003202536700002202568856012802590       2012                        eng d  a1744-683X00aCompetition between gelation and crystallisation of a peculiar multicomponent liquid system based on ammonium salts0 aCompetition between gelation and crystallisation of a peculiar m  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB  a3446-34560 v83 a<p>An exemplar competition between gelation and crystallisation phenomena was examined with an unusual synergistic multicomponent (organo) gelator solution (MGS), which consists of a well-defined methanolic solution of (1R, 2R)-1,2-diaminocyclohexane L-tartrate containing 2.4 equiv. of concentrated hydrochloric acid. The optimal composition of the MGS was determined through meticulous solubility, gelation and structural studies, which support a transient gelation mechanism based on the kinetic self-assembly of the tartrate salt driven by hydrogen-bonding interactions, involving ammonium nitrogen donors and hydroxyl oxygen acceptors, and electrostatic interactions. The hydrochloric acid is involved in the solubilisation of the salt through an ionic dissociation-exchange process, which ends up with the formation-precipitation of (1R, 2R)-1,2-diaminocyclohexane dihydrochloride. As a consequence, an irreversible destruction of the gel takes place, which indicates the metastable nature of this phase that cannot be accessed from the thermodynamically equilibrated state. Gelation of a variety of oxygenated and nitrogenated solvents with moderate polarity occurred efficiently using extremely low MGS concentrations at low temperatures, and the gel phase was confirmed by dynamic rheological measurements. Several features make the described MGS unique: (1) it is a multicomponent solution where each component and its stoichiometry play a key role in the reproducible formation and stabilization of the gels; (2) it is formed by simple, small, and commercially available chiral building blocks (dissolved in a well-defined solvent system), which are easily amenable for further modifications; (3) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol; and (4) the formed organogels are not thermoreversible despite the non-covalent interactions that characterize the 3D-network.</p>1 aKapoor, Iti1 aSchoen, Eva-Maria1 aBachl, Jurgen1 aKuehbeck, Dennis1 aCativiela, Carlos1 aSaha, Subhadeep1 aBanerjee, Rahul1 aRoelens, Stefano1 aMarrero-Tellado, Jose, Juan1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/competition-between-gelation-and-crystallisation-peculiar-multicomponent-liquid-system-000742nas a2200169   4500008004100000022001400041245011000055210006900165260008600234300001200320490000800332520004600340100001800386700002000404700002200424856012600446       2012                        eng d  a1433-726600aCrystal structure of (2S, 4R)-2-benzyl 1-tert-butyl 4-(tosyloxy)pyrrolidine-1,2-dicarboxylate, C24H29NO7S0 aCrystal structure of 2S 4R2benzyl 1tertbutyl 4tosyloxypyrrolidin  aLEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANYbOLDENBOURG VERLAGcSEP  a361-3620 v2273 a<p>{C24H29NO7S, triclinic, P1 (no. 1)</p>1 aGhosh, Munmun1 aMallick, Arijit1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/crystal-structure-2s-4r-2-benzyl-1-tert-butyl-4-tosyloxypyrrolidine-12-dicarboxylate-002454nas a2200205   4500008004100000022001400041245014800055210006900203260011000272300001600382490000700398520159900405100002002004700002202024700001702046700001802063700002202081700002002103856012502123       2012                        eng d  a0959-942800aFine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels0 aFinetuning the balance between crystallization and gelation and   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY  a14951-149630 v223 a<p>The synthesis, structure, gas adsorption and catalytic properties of a new 3D porous, crystalline metal-organic framework (Ca-5TIA-MOF) as well as stable viscoelastic metallogels (Ca-5TIA-Gel) are reported. Remarkably, the preparation of both types of materials can be carried out starting from the same organic ligand (i.e. 5-(1,2,4-triazoleyl) isophthalic acid (5TIA)), divalent metal ion (i.e. Ca(II)) and organic solvent (i.e. DMF). In this particular case, the presence of water in the solvent system favors the formation of a crystalline MOF, whereas a pure organic solvent induces gelation. The characterization of the materials was carried out using a series of techniques including XRD, FT-IR, TGA, TEM, SEM, SAXS and dynamic rheology. Experimental PXRD peaks of both Ca-5TIA-xerogel and Ca-5TIA-MOF matched reasonably well with simulated PXRD, suggesting the presence of, at least, some common structural elements in the 3D networks of both xerogel and crystalline phases. Moreover, the nature of the metal counteranion was found to have a critical influence on the gelation phenomenon. To the best of our knowledge, this report describes unprecedented Ca-based LMW-metallogels, as well as the first porous Ca-based MOF, which shows adsorption capacity for CO2 at 1 atm pressure. Interestingly, Ca-5TIA-xerogel presented 20% higher CO2-uptake than the crystalline Ca-5TIA-MOF at 1 atm and 298 K. Both Ca-5TIA-MOF and Ca-5TIA-Gel also displayed a modest catalytic activity towards the hydrosilylation of benzaldehyde, with slightly better performance for the gel phase material.</p>1 aMallick, Arijit1 aSchoen, Eva-Maria1 aPanda, Tamas1 aSreenivas, K.1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/fine-tuning-balance-between-crystallization-and-gelation-and-enhancement-co2-uptake-001838nas a2200265   4500008004100000022001400041245007400055210006900129260008600198300001400284490000600298520092700304653001701231653003301248653001201281653001901293653001201312100002101324700002401345700002201369700002201391700002901413700002201442856010801464       2013                        eng d  a1860-539700aC-C Bond formation catalyzed by natural gelatin and collagen proteins0 aCC Bond formation catalyzed by natural gelatin and collagen prot  aTRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANYbBEILSTEIN-INSTITUTcJUN  a1111-11180 v93 a<p>The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved at 1 g scale and in good yield. A comparative kinetic study with other biocatalysts shows an increase of the first-order rate constant in the order chitosan &lt; gelatin &lt; bovine serum albumin (BSA) &lt; collagen. The results of this study indicate that simple edible gelatin can promote C-C bond forming reactions under physiological conditions, which may have important implications from a metabolic perspective.</p>10abiocatalysis10acarbon-carbon bond formation10agelatin10aHenry reaction10aprotein1 aKuehbeck, Dennis1 aDhar, Basab, Bijayi1 aSchoen, Eva-Maria1 aCativiela, Carlos1 aGotor-Fernandez, Vicente1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/c-c-bond-formation-catalyzed-natural-gelatin-and-collagen-proteins-000846nas a2200229   4500008004100000022001400041245008700055210006900142260007700211300001600288490000700304653001900311653002400330653002300354653002900377653001800406100002000424700001800444700002200462700002000484856011200504       2013                        eng d  a1433-785100aHydrolytic conversion of a metal-organic polyhedron into a metal-organic framework0 aHydrolytic conversion of a metalorganic polyhedron into a metalo  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcDEC  a13755-137590 v5210acage compounds10acrystal engineering10ahydrophobic effect10ametal-organic frameworks10aSelf-assembly1 aMallick, Arijit1 aGarai, Bikash1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/hydrolytic-conversion-metal-organic-polyhedron-metal-organic-framework-002716nas a2200217   4500008004100000022001400041245014200055210006900197260011000266300001400376490000600390520182000396100001802216700002602234700002402260700002202284700001702306700002102323700002202344856013202366       2013                        eng d  a2050-748800aOrganophotocatalysis in nanostructured soft gel materials as tunable reaction vessels: comparison with homogeneous and micellar solutions0 aOrganophotocatalysis in nanostructured soft gel materials as tun  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB  a4577-45880 v13 a<p>Riboflavin tetraacetate-catalyzed aerobic photooxidation of 1-(4-methoxyphenyl)ethanol was investigated as a model reaction under blue visible light in different soft gel materials, aiming to establish their potential as reaction vessels for photochemical transformations. Three strategies involving different degrees of organization of the catalyst within the gel network were explored, and the results compared to those obtained in homogeneous and micellar solutions. In general, physical entrapment of both the catalyst and the substrate under optimized concentrations into several hydrogel matrices (including low-molecular-weight and biopolymer-based gels) allowed the photooxidation with conversions between 55 and 100% within 120 min (TOF similar to 0.045-0.08 min(-1); k(obs) similar to 0.011-0.028 min(-1)), albeit with first-order rates ca. 1-3-fold lower than in solution under comparable non-stirred conditions. Remarkably, the organogel made of a cyclohexane-based bisamide gelator in CH3CN not only prevented the photodegradation of the catalyst but also afforded full conversion in less than 60 min (TOF similar to 0.167 min(-1); k(obs) similar to 0.073 min(-1)) without the need of additional proton transfer mediators (e. g., thiourea) as it occurs in CH3CN solutions. In general, the gelators could be recycled without detriment to their gelation ability and reaction rates. Moreover, kinetics could be fine-tuned according to the characteristics of the gel media. For instance, entangled fibrillar networks with relatively high mechanical strength were usually associated with lower reaction rates, whereas wrinkled laminated morphologies seemed to favor the reaction. In addition, the kinetics results showed in most cases a good correlation with the aeration efficiency of the gel media.</p>1 aBachl, Jurgen1 aHohenleutner, Andreas1 aDhar, Basab, Bijayi1 aCativiela, Carlos1 aMaitra, Uday1 aKoenig, Burkhard1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/organophotocatalysis-nanostructured-soft-gel-materials-tunable-reaction-vessels-comparison-001490nas a2200253   4500008004100000022001400041245012300055210006900178260007700247300001400324490000700338520054500345653001100890653003300901653001600934653002400950653002900974100002001003700002201023700002201045700002201067700002001089856012701109       2013                        eng d  a0947-653900aProton-conducting supramolecular metallogels from the lowest molecular weight assembler ligand: a quote for simplicity0 aProtonconducting supramolecular metallogels from the lowest mole  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL  a9562-95680 v193 a<p>Oxalic acid has been proven to be the lowest molecular weight organic ligand able to form robust supramolecular metallogel networks in the presence of metal salts. In particular, two novel multifunctional metallogels were readily prepared at room temperature by simple mixing of stock solutions of Cu-II acetate monohydrate or Cu-II perchlorate hexahydrate and oxalic acid dihydrate. Formation of different polymorphs and unprecedented proton conduction under anhydrous conditions were also demonstrated with some of these materials.</p>10aCopper10alow-molecular-weight ligands10ametallogels10aproton conductivity10asupramolecular chemistry1 aSaha, Subhadeep1 aSchoen, Eva-Maria1 aCativiela, Carlos1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/proton-conducting-supramolecular-metallogels-lowest-molecular-weight-assembler-ligand-001084nas a2200193   4500008004100000022001400041245012600055210006900181260011000250300001400360490000700374520028500381100002000666700001800686700001700704700002200721700002000743856012700763       2014                        eng d  a1359-734500aAmino acid-based multiresponsive low-molecular weight metallohydrogels with load-bearing and rapid self-healing abilities0 aAmino acidbased multiresponsive lowmolecular weight metallohydro  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB  a3004-30060 v503 a<p>A multiresponsive metallohydrogel based on an amino acid-derived low molecular weight (LMW) ligand and a Zn(II) salt was prepared. This hydrogel showed remarkable shape-persistent, self-standing, load-bearing and self-healing properties, which is uncommon in LMW hydrogels.</p>1 aSaha, Subhadeep1 aBachl, Jurgen1 aKundu, Tanay1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/amino-acid-based-multiresponsive-low-molecular-weight-metallohydrogels-load-bearing-and01926nas a2200265   4500008004100000022001400041245012800055210006900183260007700252300001600329490000700345520092500352653002001277653003201297653002101329653002401350653001901374100001901393700003101412700002201443700002201465700002401487700002001511856012901531       2014                        eng d  a0947-653900aCovalent organic framework-cadmium sulfide hybrid as a prototype photocatalyst for visible-light-driven hydrogen production0 aCovalent organic frameworkcadmium sulfide hybrid as a prototype   aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV  a15961-159650 v203 a<p>CdS nanoparticles were deposited on a highly stable, two-dimensional (2D) covalent organic framework (COF) matrix and the hybrid was tested for photocatalytic hydrogen production. The efficiency of CdS-COF hybrid was investigated by varying the COF content. On the introduction of just 1 wt% of COF, a dramatic tenfold increase in the overall photocatalytic activity of the hybrid was observed. Among the various hybrids synthesized, that with 10 wt% COF, named CdS-COF (90: 10), was found to exhibit a steep H2 production amounting to 3678 mmolh(-1) g(-1), which is significantly higher than that of bulk CdS particles (124 mmolh(-1)g(-1)). The presence of a p-conjugated backbone, high surface area, and occurrence of abundant 2D hetero-interface highlight the usage of COF as an effective support for stabilizing the generated photoelectrons, thereby resulting in an efficient and high photocatalytic activity.</p>10acharge transfer10acovalent organic frameworks10ahybrid materials10ahydrogen production10aPhotocatalysis1 aThote, Jayshri1 aAiyappa, Harshitha, Barike1 aDeshpande, Aparna1 aDiaz, David, Diaz1 aKurungot, Sreekumar1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/covalent-organic-framework-cadmium-sulfide-hybrid-prototype-photocatalyst-visible-light-001213nas a2200193   4500008004100000022001400041245011700055210006900172260011000241300001400351490000700365520041900372100002000791700001800811700001700829700002200846700002000868856013100888       2014                        eng d  a1359-734500aDissolvable metallohydrogels for controlled release: evidence of a kinetic supramolecular gel phase intermediate0 aDissolvable metallohydrogels for controlled release evidence of   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY  a7032-70350 v503 a<p>Two metallohydrogels based on an amino acid-based ligand and Zn(II) salts were synthesized. These hydrogels show an uncommon, reversible, time-dependent transformation from the opaque to transparent state. These hydrogels also exhibit gradual dissolution in water (pH &lt;= 7) over time. A water-soluble stimulant, caffeine, could be in situ loaded into the hydrogels and slowly released during dissolution.</p>1 aSaha, Subhadeep1 aBachl, Jurgen1 aKundu, Tanay1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/dissolvable-metallohydrogels-controlled-release-evidence-kinetic-supramolecular-gel-phase-000786nas a2200181   4500008004100000022001400041245011800055210006900173260011000242300001400352490000700366520001900373100002100392700002400413700002200437700002000459856012500479       2014                        eng d  a1359-734500aHighly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction0 aHighly stable covalent organic frameworkAu nanoparticles hybrids  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN  a3169-31720 v503 a<p>{Gold [</p>1 aPachfule, Pradip1 aKandambeth, Sharath1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/highly-stable-covalent-organic-framework-au-nanoparticles-hybrids-enhanced-activity-001618nas a2200205   4500008004100000022001400041245010700055210006900162260007100231300001600302490000800318520083300326100002101159700002401180700002201204700002201226700002201248700002001270856012201290       2014                        eng d  a0002-786300aHomogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate0 aHomogeneous photochemical water oxidation by biuretmodified FeTA  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP  a12273-122820 v1363 a<p>{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220</p>1 aPanda, Chakadola1 aDebgupta, Joyashish1 aDiaz, David, Diaz1 aSingh, Kundan, K.1 aGupta, Sayam, Sen1 aDhar, Basab, B.  uhttps://library.ncl.res.in/content/homogeneous-photochemical-water-oxidation-biuret-modified-fe-taml-evidence-fe-vo-001757nas a2200241   4500008004100000022001400041245008700055210006900142260007100211300001400282490000600296520090500302653002501207653002301232653002901255653001301284653001701297100002101314700001801335700002201353700002201375856011801397       2014                        eng d  a2168-048500aInvestigation of C-C bond formation mediated by bombyx mori silk fibroin materials0 aInvestigation of CC bond formation mediated by bombyx mori silk   a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN  a1510-15170 v23 a<p>The formation of C-C bonds is a prerequisite for all life on earth. Understanding the role of proteins in mediating the formation of these bonds is important for understanding biological mechanisms in evolution, as well as for designing ``green catalysts''. In this work, the ability of silk fibroin (SF) proteins to mediate selective C-C bond formation under mild conditions was comprehensively evaluated and compared between different SF-based materials and other proteins. Aqueous SF solution (ASFS), freeze-dried SF (FDSF), mesoporous SF (MPSF), and SF hydrogel (SFHG) materials were prepared and characterized by a variety of techniques including, among others, FE-SEM, ICP-OES, FT-IR, and TGA. The nitroaldol (Henry) reaction, Knoevenagel condensation, and direct aldol reaction were used as models for this study, in which the recovery and reusability of the protein was also evaluated.</p>10aAldol-like reactions10aC-C Bond formation10aKnoevenagel condensation10aProteins10aSilk fibroin1 aKuehbeck, Dennis1 aGhosh, Munmun1 aGupta, Sayam, Sen1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/investigation-c-c-bond-formation-mediated-bombyx-mori-silk-fibroin-materials-001862nas a2200265   4500008004100000022001400041245010600055210006900161260007700230300001600307490000700323520092000330653001701250653001601267653001801283653002901301653001701330100001701347700001901364700001801383700002101401700002201422700002001444856013201464       2014                        eng d  a0947-653900aMechanical downsizing of a gadolinium(iii)-based metal-organic framework for anticancer drug delivery0 aMechanical downsizing of a gadoliniumiiibased metalorganic frame  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG  a10514-105180 v203 a<p>A Gd-III-based porous metal-organic framework (MOF), Gd-pDBI, has been synthesized using fluorescent linker pDBI (pDBI=(1,4-bis(5-carboxy-1H-benzimidazole-2-yl)benzene)), resulting in a three-dimensional interpenetrated structure with a one-dimensional open channel (1.9x1.2nm) filled with hydrogen-bonded water assemblies. Gd-pDBI exhibits high thermal stability, porosity, excellent water stability, along with organic-solvent and mild acid and base stability with retention of crystallinity. Gd-pDBI was transformed to the nanoscale regime (ca. 140nm) by mechanical grinding to yield MG-Gd-pDBI with excellent water dispersibility (&gt;90min), maintaining its porosity and crystallinity. In vitro and in vivo studies on MG-Gd-pDBI revealed its low blood toxicity and highest drug loading (12wt%) of anticancer drug doxorubicin in MOFs reported to date with pH-responsive cancer-cell-specific drug release.</p>10aball-milling10adoxorubicin10adrug delivery10ametal-organic frameworks10ananocarriers1 aKundu, Tanay1 aMitra, Shouvik1 aPatra, Prasun1 aGoswami, Arunava1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/mechanical-downsizing-gadoliniumiii-based-metal-organic-framework-anticancer-drug-delivery-002052nas a2200205   4500008004100000022001400041245007900055210006900134260011000203300001400313490000600327520126500333100002101598700002101619700002401640700002401664700002201688700002001710856011601730       2014                        eng d  a2050-748800aMultifunctional and robust covalent organic framework-nanoparticle hybrids0 aMultifunctional and robust covalent organic frameworknanoparticl  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR  a7944-79520 v23 a<p>Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.</p>1 aPachfule, Pradip1 aPanda, Manas, K.1 aKandambeth, Sharath1 aShivaprasad, S., M.1 aDiaz, David, Diaz1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/multifunctional-and-robust-covalent-organic-framework-nanoparticle-hybrids-001586nas a2200205   4500008004100000022001400041245008900055210006900144260007100213300001400284490000700298520083700305100002001142700002101162700002001183700001901203700002001222700002201242856011601264       2016                        eng d  a0897-475600aSupramolecular metallogel that imparts self-healing properties to other gel networks0 aSupramolecular metallogel that imparts selfhealing properties to  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a3210-32170 v283 a<p>A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.</p>1 aFeldner, Tobias1 aHaering, Marleen1 aSaha, Subhadeep1 aEsquena, Jordi1 aBanerjee, Rahul1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/supramolecular-metallogel-imparts-self-healing-properties-other-gel-networks01627nas a2200169   4500008004100000245008800041210006900129260000800198300001200206490000700218520102900225100001901254700002001273700002201293700002201315856012001337       2017                        eng d00aCatalytic macroporous biohydrogels made of ferritin-encapsulated gold nanoparticles0 aCatalytic macroporous biohydrogels made of ferritinencapsulated   cFEB  a225-2320 v823 aReported is a modular approach for the incorporation and stabilization of gold nanoparticles inside a three-dimensional macroporous hydrogel made of ferritin. The strategy, which involves the dynamic templating of surfactant H-1 domains, demineralization, and remineralization helps to overcome aggregation and degradation issues usually associated with bare-metal-based nanocatalysts. The catalytic activity of the so-synthesized bionanocomposite hydrogel was demonstrated in both nitroaldol (Henry) and nitroreduction model reactions in aqueous solution at room temperature. An interesting synergistic effect between basic residues of the protein and the gold nanoparticles was found in the nitroaldol reaction when carried out in water in the presence of a phase-transfer catalyst. Furthermore, the reduction of 4-nitrophenol and 4-nitroaniline catalyzed by the nanocomposite scaffold in the presence of NaBH4 proceeded significantly faster than that using other known Au- and Ag-based catalysts under similar conditions.1 aKumari, Sushma1 aHaring, Marleen1 aGupta, Sayam, Sen1 aDiaz, David, Diaz  uhttps://library.ncl.res.in/content/catalytic-macroporous-biohydrogels-made-ferritin-encapsulated-gold-nanoparticles02469nas a2200193   4500008004100000022001400041245010500055210006900160260000800229520178200237653001302019653001502032653002602047653001402073100002002087700002202107700002202129856012402151       2019                        eng d  a1861-472800aBiopolymer/glycopolypeptide-blended scaffolds: synthesis, characterization and cellular interactions0 aBiopolymerglycopolypeptideblended scaffolds synthesis characteri  cDEC3 a<p>Three-dimensional (3D) scaffolds formed from natural biopolymers gelatin and chitosan that are chemically modified by galactose have shown improved hepatocyte adhesion, spheroid geometry and functions of the hepatocytes. Galactose specifically binds to the hepatocytes via the asialoglycoprotein receptor (ASGPR) and an increase in galactose density further improves the hepatocyte proliferation and functions. In this work, we aimed to increase the galactose density within the biopolymeric scaffold by physically blending the biopolymers chitosan and gelatin with an amphiphlic beta-galactose polypeptide (PPO-GP). PPO-GP, is a di-block copolymer with PPO and beta-galactose polypeptide, exhibits lower critical solution temperature and is entrapped within the scaffold through hydrophobic interactions. The uniform distribution of PPO-GP within the scaffold was confirmed by fluorescence microscopy. SEM and mechanical testing of the hybrid scaffolds indicated pore size, inter connectivity and compression modulus similar to the scaffolds made from 100 % biopolymer. The presence of the PPO-GP on the surface of the scaffold was tested monitoring the interaction of an analogous mannose containing PPO-GP scaffold and the mannose binding lectin Con-A. In vitro cell culture experiments with HepG2 cells were performed on GLN-GP and CTS-GP and their cellular response was compared with GLN and CTS scaffolds for a period of seven days. Within three days of culture the Hep G2 cells formed multicellular spheroids on GLN-GP and CTS-GP more efficiently than on the GLN and CTS scaffolds. The multicellular spheroids were also found to infiltrate more in GLN-GP and CTS-GP scaffolds and able to maintain their round morphology as observed by live/dead and SEM imaging.</p>
10aadhesion10aAggregates10aCellular infiltration10aSpheroids1 aDhaware, Vinita1 aDiaz, David, Diaz1 aGupta, Sayam, Sen  uhttps://library.ncl.res.in/content/biopolymerglycopolypeptide-blended-scaffolds-synthesis-characterization-and-cellular03410nas a2200325   4500008004100000022001400041245017000055210006900225260000800294300001100302490000900313520226000322653002602582653002302608653001602631653002602647100003102673700002502704700002502729700002102754700002902775700001602804700002302820700001702843700002202860700002202882700002202904700002802926856013002954       2023                        eng d  a0022-286000aSynthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine0 aSynthesis characterization crystal structure in silico and compu  cOCT  a1359280 v12893 a<p>
	Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and &amp; alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) &amp; ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H–H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H–H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 &amp; PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 &amp; PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.</p>
10aComputational studies10amolecular modeling10aSchiff base10aX-ray crystallography1 aAdimudo, Hillary, Chijioke1 aAgu, Chidike, Justus1 aOkenyeka, Obinna, U.1 aEddy, Nnabuk, O.1 aDim, Ebubechukwu, Nnamdi1 aDege, Necmi1 aBonardd, Sebastian1 aVanka, Kumar1 aIbezim, Akachukwu1 aIdika, Digbo, Iku1 aDiaz, David, Diaz1 aObasi, Nnamdi, Lawrence  uhttps://library.ncl.res.in/content/synthesis-characterization-crystal-structure-silico-and-computational-studies-novel-schiff